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ENAMINE-ZINC03434875

MMsINC code: MMs01440015

Type: Neutral
Formula: C18H11F3N2O5
SMILES:   Fc1c(F)c(F)ccc1NC(=O)COC(=O)CN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C18H11F3N2O5/c19-11-5-6-12(16(21)15(11)20)22-13(24)8-28-14(25)7-23-17(26)9-3-1-2-4-10(9)18(23)27/h1-6H,7-8H2,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=77.2865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.289 g/mol  logS: -5.22427  SlogP: 1.8818  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0314571  Sterimol/B1: 2.54498  Sterimol/B2: 3.95572  Sterimol/B3: 3.99432
  Sterimol/B4: 4.91962  Sterimol/L: 20.3697 
 
 Surface and Volume Properties
  Accessible surface: 611.396  Positive charged surface: 302.479  Negative charged surface: 308.917  Volume: 310.75
  Hydrophobic surface: 448.308  Hydrophilic surface: 163.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.